%chk=000094336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094336

0 1
 O    6.689300     -0.6925000     -0.1808000    
 O    8.754000      0.1043000      0.4720000    
 C   -6.154000      0.2380000     -0.9713000    
 C   -7.474100     -0.5242000     -0.6730000    
 C   -7.228900      -1.977700     -0.3100000    
 C   -5.061500     -8.4799998E-02  7.5199999E-02
 C   -6.360700      -2.064300      0.9361000    
 C   -5.179700      -1.114600      0.9506000    
 C   -5.653400     -0.1557000      -2.380200    
 C   -6.523200       1.741600     -0.9829000    
 C   -3.887900      0.7723000      4.3000001E-02
 C   -4.190600      -1.468000       2.037400    
 C   -2.636700      0.3093000      0.1919000    
 C   -1.401000       1.100000      0.1723000    
 C   -1.538900       2.587600     -3.5999998E-02
 C  -0.2267000      0.4542000      0.3403000    
 C    1.107000       1.025900      0.3585000    
 C    2.211200      0.2793000      0.5349000    
 C    3.597100      0.7572000      0.5695000    
 C    4.584000     -0.1442000      0.7580000    
 C    3.828700       2.235400      0.3947000    
 C    6.060900      8.9400001E-02  0.8283000    
 C    8.560900      -1.476900      -1.364400    
 C    8.053600     -0.5911000     -0.2508000    
 C    10.07040      -1.400400      -1.513200    
 H   -8.005300     -4.2300001E-02  0.1598000    
 H   -8.149700     -0.4740000      -1.536400    
 H   -8.183300      -2.485100     -0.1278000    
 H   -6.748600      -2.506400      -1.141300    
 H   -6.977800      -1.856800       1.819900    
 H   -6.005100      -3.097900       1.031600    
 H   -4.791100      0.4499000      -2.682900    
 H   -5.344000      -1.205500      -2.424700    
 H   -6.434600     -4.8000002E-03  -3.133900    
 H   -6.751900       2.104100      2.6000001E-02
 H   -5.721900       2.364000      -1.395800    
 H   -7.406600       1.921800      -1.607500    
 H   -4.064000       1.835800     -6.7699999E-02
 H   -4.725500      -1.830000       2.924000    
 H   -3.605500     -0.6157000       2.391600    
 H   -3.523000      -2.269700       1.707000    
 H   -2.474800     -0.7644000      0.2646000    
 H  -0.5867000       3.121400     -5.3100001E-02
 H   -2.029700       2.797200     -0.9931000    
 H   -2.132800       3.034100      0.7694000    
 H  -0.2475000     -0.6269000      0.4841000    
 H    1.197000       2.096700      0.2237000    
 H    2.085300     -0.7955000      0.6676000    
 H    4.309900      -1.192600      0.8826000    
 H    3.451600       2.570200     -0.5781000    
 H    4.879600       2.526200      0.4379000    
 H    3.317300       2.799700       1.182700    
 H    6.338600       1.136800      0.6951000    
 H    6.417600     -0.2395000       1.811600    
 H    8.088400      -1.161300      -2.300600    
 H    8.269400      -2.509500      -1.145500    
 H    10.57270      -1.716100     -0.5928000    
 H    10.40680      -2.050200      -2.326900    
 H    10.39220     -0.3777000      -1.736200    


%chk=000094336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094336

0 1
O 6.845358 -0.472231 -0.343484
O 8.889036 -0.137598 0.734162
C -6.254336 0.244652 -0.938102
C -7.590485 -0.502759 -0.654400
C -7.378776 -1.989476 -0.323112
C -5.146692 -0.160564 0.080056
C -6.551690 -2.096218 0.969733
C -5.323543 -1.193606 0.983283
C -5.766436 -0.074813 -2.383101
C -6.559460 1.771564 -0.846733
C -3.913921 0.648102 0.014120
C -4.364182 -1.524320 2.115049
C -2.620309 0.202525 0.190143
C -1.414588 1.023481 0.128538
C -1.558764 2.515468 -0.115249
C -0.184008 0.396697 0.303826
C 1.127830 1.000167 0.297597
C 2.292533 0.277196 0.478906
C 3.652958 0.816870 0.487678
C 4.699098 -0.056988 0.700161
C 3.832572 2.310845 0.271195
C 6.155695 0.265866 0.784353
C 8.792104 -1.363133 -1.422762
C 8.234466 -0.600288 -0.228611
C 10.317438 -1.551970 -1.350571
H -8.099625 -0.018827 0.204932
H -8.255338 -0.381395 -1.532095
H -8.349817 -2.506485 -0.202956
H -6.845421 -2.492944 -1.152675
H -7.190110 -1.848150 1.846681
H -6.220220 -3.142607 1.136163
H -4.790236 0.402349 -2.585136
H -5.640938 -1.162207 -2.535120
H -6.495018 0.297820 -3.128750
H -6.754483 2.078792 0.197421
H -5.739149 2.394574 -1.246329
H -7.461613 2.002085 -1.444826
H -4.047541 1.704876 -0.253578
H -4.941129 -1.799646 3.020170
H -3.696161 -0.684875 2.366639
H -3.728397 -2.400957 1.874409
H -2.455191 -0.868739 0.370161
H -0.589028 3.035443 -0.143457
H -2.070017 2.708845 -1.077960
H -2.172157 2.986528 0.676226
H -0.203293 -0.692242 0.470724
H 1.199055 2.084484 0.145185
H 2.204610 -0.809445 0.633714
H 4.460685 -1.121951 0.834151
H 3.367117 2.621913 -0.682585
H 4.890981 2.611760 0.239594
H 3.342677 2.887758 1.078401
H 6.387252 1.338067 0.673855
H 6.613871 -0.087834 1.727783
H 8.497758 -0.816487 -2.339121
H 8.267732 -2.336307 -1.476707
H 10.605245 -2.111894 -0.444421
H 10.677200 -2.107127 -2.234936
H 10.835603 -0.578544 -1.313234


